SCHEMBL11238865

SCHEMBL11238865

O=[C]OCc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
TSHR P16473 5/20 0.36
GPR35 Q9HC97 1/20 0.36
TDP1 Q9NUW8 3/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
ATM Q13315 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10860882 0.85 TSHR (0.46) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL6835578 0.78 TXNRD1 (0.39) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL1132751 0.77 TXNRD1 (0.41) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL2831050 0.76 TXNRD1 (0.46) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL9260 0.76 ALDH1A1 (0.55) TSHRTDP1ALDH1A1HPGDHTT
SCHEMBL95713 0.75 CYP1A2 (0.54) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL1828132 0.74 TSHR (0.47) TXNRD1TXNRD3TXNRD2TSHRGPR35
SCHEMBL95261 0.74 VCAM1 (0.47) TSHRTDP1ALDH1A1HPGDNPC1
SCHEMBL25770 0.74 ALDH1A1 (0.41) TSHRTDP1ALDH1A1HTTCYP1A2
SCHEMBL6038159 0.73 TXNRD1 (0.56) TXNRD1TXNRD3TXNRD2TDP1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4314936-A BY MEASUREM,ENT OF FLUORESENCE YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1982-02-09 US claimed
US-4314936-A BY MEASUREM,ENT OF FLUORESENCE YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1982-02-09 US disclosed